검색결과 : 13건
| No. | Article |
|---|---|
| 1 |
Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme Farag MH, Ruiz-Lopez MF, Bastida A, Monard G, Ingrosso F Journal of Physical Chemistry B, 119(29), 9056, 2015 |
| 2 |
Vibrational Energy Relaxation of the Amide I Mode of N-Methylacetamide in D2O Studied through Born-Oppenheimer Molecular Dynamics Farag MH, Bastida A, Ruiz-Lopez MF, Monard G, Ingrosso F Journal of Physical Chemistry B, 118(23), 6186, 2014 |
| 3 |
Initiation of the Reaction of Deamidation in Triosephosphate Isomerase: Investigations by Means of Molecular Dynamics Simulations Ugur I, Aviyente V, Monard G Journal of Physical Chemistry B, 116(22), 6288, 2012 |
| 4 |
Peptide Binding to beta-Cyclodextrins: Structure, Dynamics, Energetics, and Electronic Effects Yeguas V, Altarsha M, Monard G, Lopez R, Ruiz-Lopez MF Journal of Physical Chemistry A, 115(42), 11810, 2011 |
| 5 |
Deamidation of Asparagine Residues: Direct Hydrolysis versus Succinimide-Mediated Deamidation Mechanisms Catak S, Monard G, Aviyente V, Ruiz-Lopez MF Journal of Physical Chemistry A, 113(6), 1111, 2009 |
| 6 |
Computational study on nonenzymatic peptide bond cleavage at asparagine and aspartic acid Catak S, Monard G, Aviyente V, Ruiz-Lopez MF Journal of Physical Chemistry A, 112(37), 8752, 2008 |
| 7 |
Theoretical study of the reduction mechanism of sulfoxides by thiols Balta B, Monard G, Ruiz-Lopez MF, Antoine M, Gand A, Boschi-Muller S, Branlant G Journal of Physical Chemistry A, 110(24), 7628, 2006 |
| 8 |
Reaction mechanism of deamidation of asparaginyl residues in peptides: Effect of solvent molecules Catak S, Monard G, Aviyente V, Ruiz-Lopez MF Journal of Physical Chemistry A, 110(27), 8354, 2006 |
| 9 |
Simulation of liquid water using semiempirical Hamiltonians and the divide and conquer approach Monard G, Bernal-Uruchurtu MI, van der Vaart A, Merz KM, Ruiz-Lopez MF Journal of Physical Chemistry A, 109(15), 3425, 2005 |
| 10 |
Theoretical approach to the wear and tear mechanism in triosephoshate isomerase: A QM/MM study Konuklar FAS, Aviyente V, Monard G, Lopez AFR Journal of Physical Chemistry B, 108(12), 3925, 2004 |